cis-(1R,2R)-2-methyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carbaldehyde

C13H17NO — CID 70983966

IUPACcis-(1R,2R)-2-methyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carbaldehyde
SMILESCNC[C@]1(C)C[C@@]1(C=O)c1ccccc1
InChIInChI=1S/C13H17NO/c1-12(9-14-2)8-13(12,10-15)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3/t12-,13+/m0/s1
InChIKeyFHQMWFWFPHNLOX-QWHCGFSZSA-N
MW203.29 g/mol
LogP1.75
Rot. Bonds4

About cis-(1R,2R)-2-methyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carbaldehyde

cis-(1R,2R)-2-methyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carbaldehyde (PubChem CID 70983966) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is cis-(1R,2R)-2-methyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2R)-2-methyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carbaldehyde
PubChem CID70983966
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Namecis-(1R,2R)-2-methyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carbaldehyde
SMILESCNC[C@]1(C)C[C@@]1(C=O)c1ccccc1
InChIInChI=1S/C13H17NO/c1-12(9-14-2)8-13(12,10-15)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3/t12-,13+/m0/s1
InChIKeyFHQMWFWFPHNLOX-QWHCGFSZSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Milnacipran
CID 65833
Levomilnacipran
CID 6917779
Dextromilnacipran
CID 11622909
4-Phenyl-4-piperidinecarboxaldehyde
CID 81397
1-(4-Phenyl-4-piperidyl)propan-1-one hydrochloride
CID 197939
(1R,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 3033806
4-Acetyl-4-phenylpiperidine
CID 101521
2-(Aminomethyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 13718739
2-(aminomethyl)-N-ethyl-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 44454557
N,N-diethyl-2-(ethylaminomethyl)-1-phenylcyclopropane-1-carboxamide
CID 44454493
N,N-diethyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carboxamide
CID 13718761
2-(aminomethyl)-N,N-diethyl-2-methyl-1-phenylcyclopropane-1-carboxamide
CID 44449438

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-methyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1R,2R)-2-methyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carbaldehyde (CID 70983966) is cis-(1R,2R)-2-methyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2R)-2-methyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2R)-2-methyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carbaldehyde is CNC[C@]1(C)C[C@@]1(C=O)c1ccccc1.
What is the InChIKey of cis-(1R,2R)-2-methyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carbaldehyde?
The InChIKey is FHQMWFWFPHNLOX-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H17NO/c1-12(9-14-2)8-13(12,10-15)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of cis-(1R,2R)-2-methyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carbaldehyde?
cis-(1R,2R)-2-methyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carbaldehyde has a molecular weight of 203.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-methyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 70983966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).